2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol

C15H16FN5O — CID 133426378

IUPAC2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C15H16FN5O/c1-15(2,9-22)17-12-7-8-13-18-19-14(21(13)20-12)10-5-3-4-6-11(10)16/h3-8,22H,9H2,1-2H3,(H,17,20)
InChIKeyFVRRFRSEQUECTM-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.11
Rot. Bonds4

About 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol

2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol (PubChem CID 133426378) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol
PubChem CID133426378
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C15H16FN5O/c1-15(2,9-22)17-12-7-8-13-18-19-14(21(13)20-12)10-5-3-4-6-11(10)16/h3-8,22H,9H2,1-2H3,(H,17,20)
InChIKeyFVRRFRSEQUECTM-UHFFFAOYSA-N
XLogP2.11
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol (CID 133426378) is 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1ccc2nnc(-c3ccccc3F)n2n1.
What is the InChIKey of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol?
The InChIKey is FVRRFRSEQUECTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-15(2,9-22)17-12-7-8-13-18-19-14(21(13)20-12)10-5-3-4-6-11(10)16/h3-8,22H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol?
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol has a molecular weight of 301.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 133426378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).